N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

C23H31NO2S — CID 133217488

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1cc(C)c(C(C)NC(=O)CSCc2cccc(C)c2)cc1C(C)C
InChIInChI=1S/C23H31NO2S/c1-15(2)20-12-21(17(4)11-22(20)26-6)18(5)24-23(25)14-27-13-19-9-7-8-16(3)10-19/h7-12,15,18H,13-14H2,1-6H3,(H,24,25)
InChIKeyLDBQTNHVMUVCIV-UHFFFAOYSA-N
MW385.57 g/mol
LogP5.55
Rot. Bonds8

About N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 133217488) has the molecular formula C23H31NO2S and a molecular weight of 385.57 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID133217488
Molecular FormulaC23H31NO2S
Molecular Weight385.57 g/mol
Exact Mass385.21
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1cc(C)c(C(C)NC(=O)CSCc2cccc(C)c2)cc1C(C)C
InChIInChI=1S/C23H31NO2S/c1-15(2)20-12-21(17(4)11-22(20)26-6)18(5)24-23(25)14-27-13-19-9-7-8-16(3)10-19/h7-12,15,18H,13-14H2,1-6H3,(H,24,25)
InChIKeyLDBQTNHVMUVCIV-UHFFFAOYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.57
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186173
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 132651277
2-[(3-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92675751
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 55747871
N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 78786783
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 133186528
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133220345
3-methyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]pentanamide
CID 86976228
2-[(3-methylphenyl)methylsulfanyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103722961
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 92673206
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 133186578
methyl (3R)-3-(2-chlorophenyl)-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanoate
CID 38590001

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 133217488) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is COc1cc(C)c(C(C)NC(=O)CSCc2cccc(C)c2)cc1C(C)C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is LDBQTNHVMUVCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2S/c1-15(2)20-12-21(17(4)11-22(20)26-6)18(5)24-23(25)14-27-13-19-9-7-8-16(3)10-19/h7-12,15,18H,13-14H2,1-6H3,(H,24,25).
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 385.57 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 133217488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).